6-acetyloxyhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 6-acetyloxyhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 6-acetoxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-acetyloxyhexyl ester IUPAC Name: 6-acetyloxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-acetoxyhexyl ester Formula: C20H31BrN2O4 MolecularWeight: 443.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCCCCOC(=O)C)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCCCCCCOC(=O)C)Br)N

InChI

InChI=1S/C20H31BrN2O4/c1-4-23(5-2)14-17-12-16(13-18(21)19(17)22)20(25)27-11-9-7-6-8-10-26-15(3)24/h12-13H,4-11,14,22H2,1-3H3